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A Minima Hopping Study of All-Atom Protein Folding and ...ACS Publications
pubs.acs.org
von S Roy · · Zitiert von: 46 — ... Stefan Goedecker, E. K. U. Gross. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure. Physical ...
Accurate Fourth-Generation Machine Learning Potentials ...arXiv
arxiv.org
von TW Ko · · Zitiert von: 7 — Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding. Authors:Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg ...
Eliminating Core Electrons in Electronic Structure ...Wiley Online Library
onlinelibrary.wiley.com
von S Goedecker · · Zitiert von: 1 — ... Stefan Goedecker,. Stefan Goedecker. University of Basel, Department of PhysicsBasel, Switzerland. Search for more ...
General-Purpose Machine Learning ACS Publications
pubs.acs.org
von TW Ko · · Zitiert von: 40 — Stefan Goedecker*. Stefan Goedecker. Department of Physics, Universität BaselBasel, Switzerland. › doi › abs
[ ] Detecting non-local effects in the electronic structure...
arxiv.org
Authors:Behnam Parsaeifard, Jonas A. Finkler, Stefan Goedecker · Download PDF. Abstract: Using methods borrowed from machine learning ...
Wavelet‐Based Density Functional Theory on Massively ...Wiley Online Library
onlinelibrary.wiley.com
von L Genovese · · Zitiert von: 5 — ... Stefan Goedecker,. Stefan Goedecker. Institut für Physik, Universität Basel, Basel, Switzerland. Search for more papers by this author · Thierry ...
Accelerated materials design approaches based on structural...
www.degruyter.com
Jan 01, · [55] Silvana Botti, José A Flores-Livas, Maximilian Amsler, Stefan Goedecker, and Miguel AL Marques. Physical Review B, 86(12): , Crossref Google Scholar [56] Silvana Botti,Maximilian Amsler, José A Flores-Livas, Paul Ceria, Stefan Goedecker, and Miguel AL Marques. Physical Review B, 88(1): , Crossref Google Scholar
Divalent Path to Enhance p-Type Conductivity in a SnO ...
pubs.acs.org
von M Graužinytė · · Zitiert von: 5 — Migl ̇e Grauˇzinyt ̇e, Daniele Tomerini, Stefan Goedecker and Jos ́e A. Flores-Livas. May 2, Computed versus experimental lattice. von S Roy · · Zitiert von: 45 — M ; Maximilian Amsler, José A. Flores-Livas, Miguel A.L. Marques, Silvana Botti, Stefan Goedecker. Prediction of a novel monoclinic ... › doi › abs
Electronic Structure Methods Exhibiting Linear Scaling of ...arXiv
arxiv.org
von S Goedecker · · Zitiert von: 3 — Focus to learn more. arXiv-issued DOI via DataCite. Submission history. From: Stefan Goedecker [view email] [v1] Fri, 5 Jun :40:29 UTC ...
Phys. Rev. Materials 2, (2018) - Emergence of hidden phases...
journals.aps.org
José A. Flores-Livas, Daniele Tomerini, Maximilian Amsler, Ariadni Boziki, Ursula Rothlisberger, and Stefan Goedecker. Phys. Rev. Materials
[ ] Daubechies Wavelets for Linear Scaling Density Functional...
arxiv.org
... Damien Caliste, Thierry Deutsch, Stefan Goedecker · Download PDF. Abstract: We demonstrate that Daubechies wavelets can be used to construct a minimal ...
Phys. Rev. Lett. 123, (2019) - Finding Reaction Pathways...
journals.aps.org
Deb Sankar De, Marco Krummenacher, Bastian Schaefer, and Stefan Goedecker. Phys. Rev. Lett. 123, – Published 15 November ...
[ ] Funnel Hopping Monte Carlo: An efficient method to...
arxiv.org
Title:Funnel Hopping Monte Carlo: An efficient method to overcome broken ergodicity. Authors:Jonas A. Finkler, Stefan Goedecker · Download ...
Phys. Rev. Lett. 88, (2002) - A Fourfold Coordinated Point...
journals.aps.org
A Fourfold Coordinated Point Defect in Silicon. Stefan Goedecker, Thierry Deutsch, and Luc Billard. Phys. Rev. Lett. 88, – Published
[ ] A fingerprint based metric for measuring similarities of...
arxiv.org
... Rostami, S. Alireza Ghasemi, Ali Sadeghi, Migle Grauzinyte, Christopher Wolverton, Stefan Goedecker. (Submitted on 24 Jul (v1), last revised 2 Aug (this version, v2)). Abstract: Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes.
Missing: fellbach württ
Metrics for measuring distances in configuration spacesAmerican Institute of Physics
pubs.aip.org
von A Sadeghi · · Zitiert von: 152 — Stefan Goedecker. Stefan Goedecker. 1Department of Physics,. Universität Basel. Basel,. Switzerland. Search for other works by this ...
[cond-mat ] Linear scaling relaxation of the atomic positions...
arxiv.org
Title:Linear scaling relaxation of the atomic positions in nano structures. Authors:Stefan Goedecker, Frederic Lancon, Thierry Deutsch. (Submitted on 11 May ...
Phys. Rev. B 101, (2020) - Nonexistence of the decahedral...
journals.aps.org
... the decahedral Si20H20 cage: Levinthal's paradox revisited. Deb Sankar De, Bastian Schaefer, Bernd von Issendorff, and Stefan Goedecker.
Targeting high symmetry in structure predictions by biasing ...
arxiv.org
von H Huber · — ... Moritz Gubler, Stefan Goedecker · Download PDF. Abstract: Ground state structures found in nature are in many cases of high symmetry. › physics
APS -APS March Meeting Session Index MAR17
meetings.aps.org
Jose A. Flores-Livas , Antonio Sanna , Arkady Davydov , Stefan Goedecker , Miguel A.L. Marques. We investigate the possibility of achieving high-temperature superconductivity in hydrides under pressure by inducing metallization of otherwise insulating phases through doping, a path previously used to render standard ...
[cond-mat ] A fourfold coordinated point defect in silicon
arxiv.org
Submission history From: Stefan Goedecker [view email] [v1] Fri, 11 Jan :01:24 GMT (115kb)
[cond-mat ] Efficient solution of Poisson's equation with free...
arxiv.org
... Luigi Genovese, Thierry Deutsch, Alexey Neelov, Stefan Goedecker, Gregory Beylkin
Phys. Rev. Lett. 108, (2012) - Crystal Structure of Cold...
journals.aps.org
... Lehtovaara, Felix Balima, S. Alireza Ghasemi, Denis Machon, Stéphane Pailhès, Alexander Willand, Damien Caliste, Silvana Botti, Alfonso San Miguel, Stefan Goedecker
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